(2S)-2-[(2S,4S,6S)-4,6-dimethylnonan-2-yl]-3,4-dimethyl-2H-furan-5-one

C17H30O2 — CID 11737209

IUPAC(2S)-2-[(2S,4S,6S)-4,6-dimethylnonan-2-yl]-3,4-dimethyl-2H-furan-5-one
SMILESCCC[C@H](C)C[C@H](C)C[C@H](C)[C@@H]1OC(=O)C(C)=C1C
InChIInChI=1S/C17H30O2/c1-7-8-11(2)9-12(3)10-13(4)16-14(5)15(6)17(18)19-16/h11-13,16H,7-10H2,1-6H3/t11-,12-,13-,16-/m0/s1
InChIKeyQBQDBUSCOQHQQT-QCQGSNGOSA-N
MW266.42 g/mol
LogP4.74
Rot. Bonds7

About (2S)-2-[(2S,4S,6S)-4,6-dimethylnonan-2-yl]-3,4-dimethyl-2H-furan-5-one

(2S)-2-[(2S,4S,6S)-4,6-dimethylnonan-2-yl]-3,4-dimethyl-2H-furan-5-one (PubChem CID 11737209) has the molecular formula C17H30O2 and a molecular weight of 266.42 g/mol. Its IUPAC name is (2S)-2-[(2S,4S,6S)-4,6-dimethylnonan-2-yl]-3,4-dimethyl-2H-furan-5-one.

Molecular Properties

Compound Name(2S)-2-[(2S,4S,6S)-4,6-dimethylnonan-2-yl]-3,4-dimethyl-2H-furan-5-one
PubChem CID11737209
Molecular FormulaC17H30O2
Molecular Weight266.42 g/mol
Exact Mass266.22
IUPAC Name(2S)-2-[(2S,4S,6S)-4,6-dimethylnonan-2-yl]-3,4-dimethyl-2H-furan-5-one
SMILESCCC[C@H](C)C[C@H](C)C[C@H](C)[C@@H]1OC(=O)C(C)=C1C
InChIInChI=1S/C17H30O2/c1-7-8-11(2)9-12(3)10-13(4)16-14(5)15(6)17(18)19-16/h11-13,16H,7-10H2,1-6H3/t11-,12-,13-,16-/m0/s1
InChIKeyQBQDBUSCOQHQQT-QCQGSNGOSA-N
XLogP4.74
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.42
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2S,4S,6S)-4,6-dimethylnonan-2-yl]-3,4-dimethyl-2H-furan-5-one?
The IUPAC name of (2S)-2-[(2S,4S,6S)-4,6-dimethylnonan-2-yl]-3,4-dimethyl-2H-furan-5-one (CID 11737209) is (2S)-2-[(2S,4S,6S)-4,6-dimethylnonan-2-yl]-3,4-dimethyl-2H-furan-5-one.
What is the SMILES notation for (2S)-2-[(2S,4S,6S)-4,6-dimethylnonan-2-yl]-3,4-dimethyl-2H-furan-5-one?
The canonical SMILES for (2S)-2-[(2S,4S,6S)-4,6-dimethylnonan-2-yl]-3,4-dimethyl-2H-furan-5-one is CCC[C@H](C)C[C@H](C)C[C@H](C)[C@@H]1OC(=O)C(C)=C1C.
What is the InChIKey of (2S)-2-[(2S,4S,6S)-4,6-dimethylnonan-2-yl]-3,4-dimethyl-2H-furan-5-one?
The InChIKey is QBQDBUSCOQHQQT-QCQGSNGOSA-N. The full InChI is InChI=1S/C17H30O2/c1-7-8-11(2)9-12(3)10-13(4)16-14(5)15(6)17(18)19-16/h11-13,16H,7-10H2,1-6H3/t11-,12-,13-,16-/m0/s1.
What are the key properties of (2S)-2-[(2S,4S,6S)-4,6-dimethylnonan-2-yl]-3,4-dimethyl-2H-furan-5-one?
(2S)-2-[(2S,4S,6S)-4,6-dimethylnonan-2-yl]-3,4-dimethyl-2H-furan-5-one has a molecular weight of 266.42 g/mol, XLogP of 4.74, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2S,4S,6S)-4,6-dimethylnonan-2-yl]-3,4-dimethyl-2H-furan-5-one is sourced from PubChem (CID 11737209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).